2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

C13H21F3N4O3 — CID 49438649

IUPAC2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCC(=O)NC1CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4O3/c1-8(11(22)19-12(23)17-7-13(14,15)16)20-5-3-10(4-6-20)18-9(2)21/h8,10H,3-7H2,1-2H3,(H,18,21)(H2,17,19,22,23)
InChIKeyCUOIIBAUKFXKGB-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.36
Rot. Bonds4

About 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 49438649) has the molecular formula C13H21F3N4O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID49438649
Molecular FormulaC13H21F3N4O3
Molecular Weight338.33 g/mol
Exact Mass338.16
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCC(=O)NC1CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4O3/c1-8(11(22)19-12(23)17-7-13(14,15)16)20-5-3-10(4-6-20)18-9(2)21/h8,10H,3-7H2,1-2H3,(H,18,21)(H2,17,19,22,23)
InChIKeyCUOIIBAUKFXKGB-UHFFFAOYSA-N
XLogP0.36
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 49438649) is 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is CC(=O)NC1CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is CUOIIBAUKFXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O3/c1-8(11(22)19-12(23)17-7-13(14,15)16)20-5-3-10(4-6-20)18-9(2)21/h8,10H,3-7H2,1-2H3,(H,18,21)(H2,17,19,22,23).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 338.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 49438649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).